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Information card for entry 2200350
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| Coordinates | 2200350.cif |
|---|---|
| Structure factors | 2200350.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2'-amino-3',5'-dibromoacetophenone |
|---|---|
| Formula | C8 H7 Br2 N O |
| Calculated formula | C8 H7 Br2 N O |
| SMILES | Brc1c(N)c(cc(Br)c1)C(=O)C |
| Title of publication | 2'-Amino-3',5'-dibromoacetophenone |
| Authors of publication | Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | o538 - o539 |
| a | 9.147 ± 0.006 Å |
| b | 10.138 ± 0.007 Å |
| c | 9.699 ± 0.008 Å |
| α | 90° |
| β | 92.02 ± 0.04° |
| γ | 90° |
| Cell volume | 898.9 ± 1.1 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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